3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid

C17H14BrNO2 — CID 142738539

IUPAC3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1
InChIInChI=1S/C17H14BrNO2/c18-14-4-2-1-3-13(14)16-10-12-9-11(6-8-17(20)21)5-7-15(12)19-16/h1-5,7,9-10,19H,6,8H2,(H,20,21)
InChIKeyKCMHDHTXPXXOBR-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.61
Rot. Bonds4

About 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid

3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid (PubChem CID 142738539) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid
PubChem CID142738539
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1
InChIInChI=1S/C17H14BrNO2/c18-14-4-2-1-3-13(14)16-10-12-9-11(6-8-17(20)21)5-7-15(12)19-16/h1-5,7,9-10,19H,6,8H2,(H,20,21)
InChIKeyKCMHDHTXPXXOBR-UHFFFAOYSA-N
XLogP4.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,5-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738582
3-[2-(4-bromo-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164610330
3-[2-(4-fluoro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164616580
3-[2-(2,4-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 164617551
3-[2-(2,6-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 164619456
2-[4-(2-methyl-1H-5-indolyl)phenyl]propanoic acid
CID 9838569
2-[2-phenyl-3-(2-phenylethyl)-1H-indol-5-yl]acetic acid
CID 9863468
3-[2-Methyl-1-phenyl-3-(2-phenylethyl)indol-5-yl]propanoic acid
CID 59317813
3-[2-(2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738545
3-[2-(2-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738551
3-[2-(4-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738553
3-[2-(3-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738567

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid (CID 142738539) is 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid is O=C(O)CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1.
What is the InChIKey of 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid?
The InChIKey is KCMHDHTXPXXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-4-2-1-3-13(14)16-10-12-9-11(6-8-17(20)21)5-7-15(12)19-16/h1-5,7,9-10,19H,6,8H2,(H,20,21).
What are the key properties of 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid?
3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid has a molecular weight of 344.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-1H-indol-5-yl]propanoic acid is sourced from PubChem (CID 142738539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).